AG00E8LH

596-01-0 | alpha-Naphtholphthalein

AG00E8LH

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CAS Number	596-01-0
Catalog Number	AG00E8LH(AGN-PC-0JL8QG)
Chemical Name	alpha-Naphtholphthalein
EC Number	209-875-5
IUPAC Name	3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one
InChI	InChI=1S/C28H18O4/c29-25-15-13-23(17-7-1-3-9-19(17)25)28(22-12-6-5-11-21(22)27(31)32-28)24-14-16-26(30)20-10-4-2-8-18(20)24/h1-16,29-30H
InChI Key	HQHBAGKIEAOSNM-UHFFFAOYSA-N
MDL Number	MFCD00036202
Molecular Formula	C28H18O4
Molecular Weight	418.4401
SMILES	O=C1OC(C2=C3C=CC=CC3=C(O)C=C2)(C4=C5C=CC=CC5=C(O)C=C4)C6=C1C=CC=C6
UNII	2QEG1706NN
Synonyms	naphtholphthalein, alpha-Naphtholphthalein, 596-01-0, 1-Naphtholphthalein, Naphtholphthalein, 3,3-Bis(4-hydroxynaphthalen-1-yl)isobenzofuran-1(3H)-one, a-naphtholphthalein, UNII-2QEG1706NN, MFCD00036202, 2QEG1706NN, 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-1-naphthalenyl)-, alpha-Naphtholphthalein, pure, indicator, EINECS 209-875-5, naphtholphthalein blue, alpha-Naphtholphtalein, 3,3-Bis(4-hydroxy-1-naphthyl)phthalide, AC1L2AVP, .alpha. Naphtholphthalein, .alpha.-Naphtholphthaleine, AC1Q6HE4, SCHEMBL63922, DTXSID70208273, HQHBAGKIEAOSNM-UHFFFAOYSA-N, ZINC3861450, STL453765, AKOS015903153, MCULE-3131082085, TRA0069528, alpha-Naphtholphthalein, practical grade, KS-000010U2, AK163616, AN-46257, AX8001881, FT-0632479, N0031, N0062, ST24041104, ST50308361, Z3617, A-8761, N10750, C-22038, 3,3-bis(4-hydroxy-1-naphthyl)isobenzofuran-1-one, I14-19282, 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1-one, 3,3-bis(4-hydroxynaphthyl)-3-hydroisobenzofuran-1-one, 3,3-Bis(4-hydroxy-1-naphthyl)-2-benzofuran-1(3H)-one #, 3,3-bis(4-hydroxynaphthalen-1-yl)-2-benzofuran-1(3H)-one, |A-Naphtholphthalein, 1-Naphtholphthalein 1gm, alpha-Naphtholphthalein 1g, C28H18O4, CID68993, AR-1H7277, C28-H18-O4, Phthalide, 3,3-bis(4-hydroxy-1-naphthyl)-, alpha-Naphtholphthalein, 98%, indicator - 1g 1g, C002684, 3,3-Bis(4-hydroxynaphthalenyl)-1(3H)-isobenzofuranone, 6127-94-2,

Complexity	668
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	418.121g/mol
Formal Charge	0
Heavy Atom Count	32
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	418.448g/mol
Monoisotopic Mass	418.121g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H315-H319-H335
Precuationary statements	P261-P305+P351+P338
Siginal words

Certificate of Analysis

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